PUBCHEM-ZINC05828134

MMsINC code: MMs03403690

• Type: Neutral
• Formula: C₃H₄FO₆P
• SMILES: P(O\C(=C\F)\C(O)=O)(O)(O)=O
• InChI: InChI=1/C3H4FO6P/c4-1-2(3(5)6)10-11(7,8)9/h1H,(H,5,6)(H2,7,8,9)/b2-1+

Potential Energy
Epot(MMFF94)=-34.0956 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 186.031 g/mol
• logS: 0.28855
• SlogP: -0.9701
• Reactive groups: 0

Topological Properties

• Globularity: 0.0838645
• Sterimol/B1: 2.27323
• Sterimol/B2: 3.12212
• Sterimol/B3: 3.27084
• Sterimol/B4: 4.83509
• Sterimol/L: 10.4486

Surface and Volume Properties

• Accessible surface: 309.388
• Positive charged surface: 129.621
• Negative charged surface: 179.767
• Volume: 117.625
• Hydrophobic surface: 62.5311
• Hydrophilic surface: 246.8569

Pharmacophoric Properties

• Hydrogen bond donors: 5
• Hydrogen bond acceptors: 6
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 0

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1